SCHEMBL282886

SCHEMBL282886

CC(C)(C)c1cc(N)n(CC2CCCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.36
HTR2C P28335 7/20 0.36
SLC6A4 P31645 7/20 0.36
HTR2A P28223 5/20 0.36
MAPK14 Q16539 2/20 0.36
CNR2 P34972 3/20 0.35
CNR1 P21554 1/20 0.35
P2RY14 Q15391 3/20 0.35
PDE5A O76074 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL281636 0.97 MAPT (0.41) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL4898659 0.94 KDM4E (0.41) MEN1MAPTRAB9AKMT2ANPSR1
Hydrochloric Acid SCHEMBL287358 0.92 KDM4E (0.40) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL284087 0.87 CNR2 (0.40) KDM4EMAPK14CNR2CNR1
SCHEMBL24007963 0.83 KDM4E (0.38) MEN1KMT2AKDM4EMAPK14
SCHEMBL25745878 0.83 CNR2 (0.47) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL2816044 0.81 PIK3CA (0.40) MAPTNPSR1KDM4EMAPK14CNR2
SCHEMBL2812486 0.80 PDE8B (0.44) CNR2
SCHEMBL15925334 0.79 CRHR1 (0.40) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL283424 0.79 CNR2 (0.44) MEN1KMT2AKDM4EPKMCNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428507-B1 Cannabinoid receptor ligands ABBVIE BAHAMAS LTD (BS) 2015-10-21 EP disclosed
EP-2896615-A1 Cannabinoid receptor ligands AbbVie Bahamas Limited (BS) 2015-07-22 EP disclosed
US-8859596-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-14 US disclosed
US-8188135-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
EP-2428507-A2 Cannabinoid receptor ligands Abbott Laboratories (US) 2012-03-14 EP disclosed
EP-2334646-A2 SUBSTITUTED BENZAMIDES AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-06-22 EP disclosed
WO-2010033543-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-25 WO disclosed
US-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R MEN1 2912/4885MAPT 3688/4885RAB9A 915/4885
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R MEN1 2912/4885MAPT 3688/4885RAB9A 915/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.